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3612-18-8 | 1-Ethylpiperidin-4-one
CAS No: 3612-18-8 Catalog No: AG003EB9 MDL No:MFCD00013356
Product Description
Catalog Number:
AG003EB9
Chemical Name:
1-Ethylpiperidin-4-one
CAS Number:
3612-18-8
Molecular Formula:
C7H13NO
Molecular Weight:
127.1842
MDL Number:
MFCD00013356
IUPAC Name:
1-ethylpiperidin-4-one
InChI:
InChI=1S/C7H13NO/c1-2-8-5-3-7(9)4-6-8/h2-6H2,1H3
InChI Key:
BDVKAMAALQXGLM-UHFFFAOYSA-N
SMILES:
CCN1CCC(=O)CC1
EC Number:
222-781-9
Properties
Complexity:
102
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.1g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.187g/mol
Monoisotopic Mass:
127.1g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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